CID 10130644

143090-18-0

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C#N

InChI

InChI=1S/C12H14N2O2/c1-12(2,3)16-11(15)14-10-6-4-9(8-13)5-7-10/h4-7H,1-3H3,(H,14,15)

InChIKey

CPIRTCVNDVQQLE-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-cyanophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 131
Patents: 218.10553 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.112806	154.3
[M+Na]+	241.094748	163.0
[M-H]-	217.098254	157.7
[M+NH4]+	236.139353	170.9
[M+K]+	257.068688	160.9
[M+H-H2O]+	201.102790	141.9
[M+HCOO]-	263.103731	173.4
[M+CH3COO]-	277.119381	201.3
[M+Na-2H]-	239.080196	159.0
[M]+	218.10498142	150.3
[M]-	218.10607858	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe